Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameCHEMBL1668564
Molecular formulaC16H18N4O3S
IUPAC name3-(benzenesulfonyl)-5-(methoxymethyl)-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
Molecular weight346.405
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.1
SynonymsBDBM50417916
SCHEMBL12441479
US8618114, 1.2.5(1)
Inchi KeyAKYBXIOZAWNEGP-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H18N4O3S/c1-11-9-12(10-23-3)18-16-14(15(17-2)19-20(11)16)24(21,22)13-7-5-4-6-8-13/h4-9H,10H2,1-3H3,(H,17,19)
PubChem CID52918032
ChEMBLCHEMBL1668564
IUPHARN/A
BindingDB50417916
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
80135-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440

yangzhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218